(2S)-2-(5-methyl-2-propan-2-ylphenoxy)-N-(4-piperidin-1-ylphenyl)propanamide

C24H32N2O2 — CID 100516543

IUPAC(2S)-2-(5-methyl-2-propan-2-ylphenoxy)-N-(4-piperidin-1-ylphenyl)propanamide
SMILESCc1ccc(C(C)C)c(O[C@@H](C)C(=O)Nc2ccc(N3CCCCC3)cc2)c1
InChIInChI=1S/C24H32N2O2/c1-17(2)22-13-8-18(3)16-23(22)28-19(4)24(27)25-20-9-11-21(12-10-20)26-14-6-5-7-15-26/h8-13,16-17,19H,5-7,14-15H2,1-4H3,(H,25,27)/t19-/m0/s1
InChIKeyYPUXGAUVIBKDDU-IBGZPJMESA-N
MW380.53 g/mol
LogP5.51
Rot. Bonds6

About (2S)-2-(5-methyl-2-propan-2-ylphenoxy)-N-(4-piperidin-1-ylphenyl)propanamide

(2S)-2-(5-methyl-2-propan-2-ylphenoxy)-N-(4-piperidin-1-ylphenyl)propanamide (PubChem CID 100516543) has the molecular formula C24H32N2O2 and a molecular weight of 380.53 g/mol. Its IUPAC name is (2S)-2-(5-methyl-2-propan-2-ylphenoxy)-N-(4-piperidin-1-ylphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(5-methyl-2-propan-2-ylphenoxy)-N-(4-piperidin-1-ylphenyl)propanamide
PubChem CID100516543
Molecular FormulaC24H32N2O2
Molecular Weight380.53 g/mol
Exact Mass380.25
IUPAC Name(2S)-2-(5-methyl-2-propan-2-ylphenoxy)-N-(4-piperidin-1-ylphenyl)propanamide
SMILESCc1ccc(C(C)C)c(O[C@@H](C)C(=O)Nc2ccc(N3CCCCC3)cc2)c1
InChIInChI=1S/C24H32N2O2/c1-17(2)22-13-8-18(3)16-23(22)28-19(4)24(27)25-20-9-11-21(12-10-20)26-14-6-5-7-15-26/h8-13,16-17,19H,5-7,14-15H2,1-4H3,(H,25,27)/t19-/m0/s1
InChIKeyYPUXGAUVIBKDDU-IBGZPJMESA-N
XLogP5.51
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.53
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-(5-methyl-2-propan-2-ylphenoxy)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 133166790
(2R)-2-(2,5-dimethylphenoxy)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 100504761
(2S)-2-(2-propan-2-ylphenoxy)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 100505519
(2S)-2-(5-methyl-2-propan-2-ylphenoxy)-N-[(4-pyrrolidin-1-ylphenyl)methyl]propanamide
CID 100600862
2-(5-methyl-2-propan-2-ylphenoxy)-N-(4-piperidin-1-ylphenyl)acetamide
CID 7922502
(2R)-2-(2,5-dimethylphenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 95712980
2-(4-methylphenoxy)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 133166686
(2S)-2-(3,5-dimethylphenoxy)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 100506199
2-(2-methylphenoxy)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 133166702
(2R)-2-(2-methoxyphenoxy)-N-(4-piperidin-1-ylphenyl)propanamide
CID 7550758
(2R)-2-(3,4-dimethylphenoxy)-N-(4-piperidin-1-ylphenyl)propanamide
CID 95077718
(2S)-2-(3,5-dimethoxyphenoxy)-N-(4-piperidin-1-ylphenyl)propanamide
CID 7550636

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(5-methyl-2-propan-2-ylphenoxy)-N-(4-piperidin-1-ylphenyl)propanamide?
The IUPAC name of (2S)-2-(5-methyl-2-propan-2-ylphenoxy)-N-(4-piperidin-1-ylphenyl)propanamide (CID 100516543) is (2S)-2-(5-methyl-2-propan-2-ylphenoxy)-N-(4-piperidin-1-ylphenyl)propanamide.
What is the SMILES notation for (2S)-2-(5-methyl-2-propan-2-ylphenoxy)-N-(4-piperidin-1-ylphenyl)propanamide?
The canonical SMILES for (2S)-2-(5-methyl-2-propan-2-ylphenoxy)-N-(4-piperidin-1-ylphenyl)propanamide is Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)Nc2ccc(N3CCCCC3)cc2)c1.
What is the InChIKey of (2S)-2-(5-methyl-2-propan-2-ylphenoxy)-N-(4-piperidin-1-ylphenyl)propanamide?
The InChIKey is YPUXGAUVIBKDDU-IBGZPJMESA-N. The full InChI is InChI=1S/C24H32N2O2/c1-17(2)22-13-8-18(3)16-23(22)28-19(4)24(27)25-20-9-11-21(12-10-20)26-14-6-5-7-15-26/h8-13,16-17,19H,5-7,14-15H2,1-4H3,(H,25,27)/t19-/m0/s1.
What are the key properties of (2S)-2-(5-methyl-2-propan-2-ylphenoxy)-N-(4-piperidin-1-ylphenyl)propanamide?
(2S)-2-(5-methyl-2-propan-2-ylphenoxy)-N-(4-piperidin-1-ylphenyl)propanamide has a molecular weight of 380.53 g/mol, XLogP of 5.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(5-methyl-2-propan-2-ylphenoxy)-N-(4-piperidin-1-ylphenyl)propanamide is sourced from PubChem (CID 100516543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).